chempirical

Methyl 3,4,5-trimethoxybenzoate

C11H14O5CAS 1916-07-0226.23 g/mol

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EsterEther

Properties

Molecular formula
C11H14O5
Molar mass
226.23 g/mol
Exact mass
226.0841 Da
Melting point
82–83 °C
Boiling point
118–120 °C (at 0.1 Torr)
logP
1.50Crippen estimate
Polar surface area
54.0 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
1916-07-0
SMILES
COC(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey
KACHFMOHOPLTNX-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3

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Names and synonyms

8 names
  • Benzoic acid, 3,4,5-trimethoxy-, methyl ester
  • Trimethylgallic acid methyl ester
  • 3,4,5-Trimethoxybenzoic acid methyl ester
  • Methyl tri-O-methylgallate
  • Methyl gallate trimethyl ether
  • Methyl eudesmate
  • NSC 16955
  • Methyl triMethylGallate

Work with Methyl 3,4,5-trimethoxybenzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl syringate884-35-569 % similar Methyl 3,4-dimethoxybenzoate2150-38-166 % similar Ethyl 3,4,5-trimethoxybenzoate6178-44-565 % similar Trimethyl 1,3,5-benzenetricarboxylate2672-58-463 % similar Methyl 3,5-dimethoxybenzoate2150-37-061 % similar Methyl 3-methoxy-4-methylbenzoate3556-83-060 % similar Methyl 4-amino-3-methoxybenzoate41608-64-460 % similar 3′,4′,5′-Trimethoxyacetophenone1136-86-359 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Butyl gallate1083-41-6 2,3,4-Trimethoxybenzeneacetic acid22480-91-7 Isobutyl gallate3856-05-1 Genipin6902-77-8 3,4,5-Trimethoxyphenylacetic acid951-82-6

Elsewhere

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